1NJJ
Crystal structure determination of T. brucei ornithine decarboxylase bound to D-ornithine and to G418
Experimental procedure
Experimental method | SINGLE WAVELENGTH |
Source type | ROTATING ANODE |
Source details | RIGAKU RU200 |
Temperature [K] | 98.5 |
Detector technology | IMAGE PLATE |
Collection date | 2001-04-01 |
Detector | RIGAKU RAXIS IV |
Spacegroup name | P 1 21 1 |
Unit cell lengths | 67.818, 88.540, 150.445 |
Unit cell angles | 90.00, 90.03, 90.00 |
Refinement procedure
Resolution | 35.000 - 2.450 |
Rwork | 0.260 |
R-free | 0.28300 |
Structure solution method | MOLECULAR REPLACEMENT |
Starting model (for MR) | 1f3t with waters K69 C360 and putrescine removed |
RMSD bond length | 0.009 * |
RMSD bond angle | 1.559 * |
Data reduction software | DENZO |
Data scaling software | SCALEPACK |
Phasing software | AMoRE |
Refinement software | CNS |
Data quality characteristics
Overall | Outer shell | |
Low resolution limit [Å] | 50.000 | 2.540 |
High resolution limit [Å] | 2.450 | 2.450 |
Rmerge | 0.069 | 0.620 |
Total number of observations | 253681 * | |
Number of reflections | 63372 | |
<I/σ(I)> | 21.8 | 2.1 |
Completeness [%] | 96.7 | 93.9 |
Redundancy | 4 |
Crystallization Conditions
crystal ID | method | pH | temperature | details |
1 | Vapor diffusion * | 7.2 * | 289 | Peg 3350, Hepes, DTT, NaCl, D-ornithine, G418, butyrolactone, pH 7, VAPOR DIFFUSION, SITTING DROP, temperature 16K |
Crystallization Reagents in Literatures
ID | crystal ID | solution | reagent name | concentration (unit) | details |
1 | 1 | drop | protein | 23 (mg/ml) | |
10 | 1 | reservoir | D-Orn | 25 (mM) | pH7.5 |
11 | 1 | reservoir | G418 | 100 (mM) | |
12 | 1 | drop | D-Orn | 25 (mM) | |
13 | 1 | drop | G418 sulfate | 100 (mM) | |
2 | 1 | drop | HEPES | 10 (mM) | pH7.2 |
3 | 1 | drop | 50 (mM) | ||
4 | 1 | drop | dithiothreitol | 10 (mM) | |
5 | 1 | drop | EDTA | 0.5 (mM) | |
6 | 1 | drop | Brij-20 | 0.01 (%) | |
7 | 1 | reservoir | PEG3350 | 20 (%) | |
8 | 1 | reservoir | HEPES | 100 (mM) | pH8.0 |
9 | 1 | reservoir | dithiothreitol | 10 (mM) |